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13 - Electrical and Electronic Engineering, Metallurgy and Materials

Aston University

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Article title

Ion interactions with the carbon nanotube surface in aqueous solutions : understanding the molecular mechanisms

Type

D - Journal article

DOI

10.1002/cphc.201000231

Title of journal

ChemPhysChem

Article number

Volume number

Issue number

First page of article

2612

ISSN of journal

1439-4235

Year of publication

2010

URL

http://onlinelibrary.wiley.com/doi/10.1002/cphc.201000231/abstract

Number of additional authors

Additional information

The paper introduces a novel method for molecular simulation of carbon nanotubes in water. It led to EU grants (HPC-EUROPA2 Project# 228398 with 60000 hours supercomputer time, TeLaSens FP7 Marie Curie IRSES Project#269271, €270K), further papers (DOI: 10.1039/C1CP21440C and DOI: 10.1039/C1SC00232E), and oral presentations at 241st and 242nd National Meeting of American Chemical Society. Results have been used (Prof S Patel University of Delaware, Prof G. N. Sastry Indian Institute of Chemical Technology, Dr J Vatamanu University of Utah) to explain magnetic and electro-chemical phenomena in carbon nanotube solutions. Potential applications are in sensors, super capacitors and solar cells.

Interdisciplinary

Cross-referral requested

Research group

B - Nanoscience Research Group

Proposed double-weighted

Double-weighted statement

Reserve for a double-weighted output

Non-English

English abstract